2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine

C11H15N5 — CID 82239168

IUPAC2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NCCc2cccnc2)c(N)[nH]1
InChIInChI=1S/C11H15N5/c1-8-15-10(12)11(16-8)14-6-4-9-3-2-5-13-7-9/h2-3,5,7,14H,4,6,12H2,1H3,(H,15,16)
InChIKeyIPLNAIKECXOKMI-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.35
Rot. Bonds4

About 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine

2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine (PubChem CID 82239168) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
PubChem CID82239168
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NCCc2cccnc2)c(N)[nH]1
InChIInChI=1S/C11H15N5/c1-8-15-10(12)11(16-8)14-6-4-9-3-2-5-13-7-9/h2-3,5,7,14H,4,6,12H2,1H3,(H,15,16)
InChIKeyIPLNAIKECXOKMI-UHFFFAOYSA-N
XLogP1.35
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
CID 137015427
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 104506472
4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine
CID 82238157
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211
2-chloro-6-methyl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320757
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791275
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine (CID 82239168) is 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine is Cc1nc(NCCc2cccnc2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine?
The InChIKey is IPLNAIKECXOKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-15-10(12)11(16-8)14-6-4-9-3-2-5-13-7-9/h2-3,5,7,14H,4,6,12H2,1H3,(H,15,16).
What are the key properties of 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82239168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).